3-fluoro-4-[3-[(3-methylmorpholin-4-yl)methyl]-5-[(3-methylphenyl)methyl]pyrazol-1-yl]benzenesulfonamide

C23H27FN4O3S — CID 25024242

IUPAC3-fluoro-4-[3-[(3-methylmorpholin-4-yl)methyl]-5-[(3-methylphenyl)methyl]pyrazol-1-yl]benzenesulfonamide
SMILESCc1cccc(Cc2cc(CN3CCOCC3C)nn2-c2ccc(S(N)(=O)=O)cc2F)c1
InChIInChI=1S/C23H27FN4O3S/c1-16-4-3-5-18(10-16)11-20-12-19(14-27-8-9-31-15-17(27)2)26-28(20)23-7-6-21(13-22(23)24)32(25,29)30/h3-7,10,12-13,17H,8-9,11,14-15H2,1-2H3,(H2,25,29,30)
InChIKeyBLOSPBNMWGZJJH-UHFFFAOYSA-N
MW458.56 g/mol
LogP2.78
Rot. Bonds6

About 3-fluoro-4-[3-[(3-methylmorpholin-4-yl)methyl]-5-[(3-methylphenyl)methyl]pyrazol-1-yl]benzenesulfonamide

3-fluoro-4-[3-[(3-methylmorpholin-4-yl)methyl]-5-[(3-methylphenyl)methyl]pyrazol-1-yl]benzenesulfonamide (PubChem CID 25024242) has the molecular formula C23H27FN4O3S and a molecular weight of 458.56 g/mol. Its IUPAC name is 3-fluoro-4-[3-[(3-methylmorpholin-4-yl)methyl]-5-[(3-methylphenyl)methyl]pyrazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-4-[3-[(3-methylmorpholin-4-yl)methyl]-5-[(3-methylphenyl)methyl]pyrazol-1-yl]benzenesulfonamide
PubChem CID25024242
Molecular FormulaC23H27FN4O3S
Molecular Weight458.56 g/mol
Exact Mass458.18
IUPAC Name3-fluoro-4-[3-[(3-methylmorpholin-4-yl)methyl]-5-[(3-methylphenyl)methyl]pyrazol-1-yl]benzenesulfonamide
SMILESCc1cccc(Cc2cc(CN3CCOCC3C)nn2-c2ccc(S(N)(=O)=O)cc2F)c1
InChIInChI=1S/C23H27FN4O3S/c1-16-4-3-5-18(10-16)11-20-12-19(14-27-8-9-31-15-17(27)2)26-28(20)23-7-6-21(13-22(23)24)32(25,29)30/h3-7,10,12-13,17H,8-9,11,14-15H2,1-2H3,(H2,25,29,30)
InChIKeyBLOSPBNMWGZJJH-UHFFFAOYSA-N
XLogP2.78
TPSA90.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.56
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-fluoro-4-[3-[(3-methylmorpholin-4-yl)methyl]-5-[(3-methylphenyl)methyl]pyrazol-1-yl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[(4aS)-6-(benzenesulfonyl)-1-(4-fluorophenyl)-4,5,7,8-tetrahydropyrazolo[5,4-g]isoquinolin-4a-yl]methyl]morpholine
CID 11591552
4-[4-[[1-(4-Fluorophenyl)-4a-[(4-fluorophenyl)methyl]-4,5,7,8-tetrahydropyrazolo[5,4-g]isoquinolin-6-yl]sulfonyl]phenyl]morpholine
CID 11570728
4-[5-(4-Fluorophenyl)-3-(morpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide
CID 155519294
4-[5-(3-Fluorophenyl)-3-(morpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide
CID 155542855
US9156811, Ddd86314
CID 58561266
4-[5-[4-(Piperazin-1-ylmethyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 118714714
4-{[5-(3-Fluorobenzenesulfonyl)-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-C]pyridin-3-YL]methyl}morpholine
CID 124079179
US9156811, Ddd73506
CID 117905411
[5-(4-Fluorophenyl)-1-phenylpyrazol-3-yl]-morpholin-4-ylmethanethione
CID 177698810
4-[5-[4-(4-Methylpiperazin-1-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 178251302
1-(3,4-Difluorophenyl)sulfonyl-4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]piperazine
CID 6736348
1-[(4-Fluorophenyl)-phenylmethyl]-4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazine
CID 132462617

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[3-[(3-methylmorpholin-4-yl)methyl]-5-[(3-methylphenyl)methyl]pyrazol-1-yl]benzenesulfonamide?
The IUPAC name of 3-fluoro-4-[3-[(3-methylmorpholin-4-yl)methyl]-5-[(3-methylphenyl)methyl]pyrazol-1-yl]benzenesulfonamide (CID 25024242) is 3-fluoro-4-[3-[(3-methylmorpholin-4-yl)methyl]-5-[(3-methylphenyl)methyl]pyrazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 3-fluoro-4-[3-[(3-methylmorpholin-4-yl)methyl]-5-[(3-methylphenyl)methyl]pyrazol-1-yl]benzenesulfonamide?
The canonical SMILES for 3-fluoro-4-[3-[(3-methylmorpholin-4-yl)methyl]-5-[(3-methylphenyl)methyl]pyrazol-1-yl]benzenesulfonamide is Cc1cccc(Cc2cc(CN3CCOCC3C)nn2-c2ccc(S(N)(=O)=O)cc2F)c1.
What is the InChIKey of 3-fluoro-4-[3-[(3-methylmorpholin-4-yl)methyl]-5-[(3-methylphenyl)methyl]pyrazol-1-yl]benzenesulfonamide?
The InChIKey is BLOSPBNMWGZJJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN4O3S/c1-16-4-3-5-18(10-16)11-20-12-19(14-27-8-9-31-15-17(27)2)26-28(20)23-7-6-21(13-22(23)24)32(25,29)30/h3-7,10,12-13,17H,8-9,11,14-15H2,1-2H3,(H2,25,29,30).
What are the key properties of 3-fluoro-4-[3-[(3-methylmorpholin-4-yl)methyl]-5-[(3-methylphenyl)methyl]pyrazol-1-yl]benzenesulfonamide?
3-fluoro-4-[3-[(3-methylmorpholin-4-yl)methyl]-5-[(3-methylphenyl)methyl]pyrazol-1-yl]benzenesulfonamide has a molecular weight of 458.56 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[3-[(3-methylmorpholin-4-yl)methyl]-5-[(3-methylphenyl)methyl]pyrazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 25024242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).